6-[(5-methoxy-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide

C20H21N5O4S — CID 155517469

IUPAC6-[(5-methoxy-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(OC)cn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C20H21N5O4S/c1-21-20(26)14-12-23-19(25-18-9-8-13(29-2)11-22-18)10-16(14)24-15-6-4-5-7-17(15)30(3,27)28/h4-12H,1-3H3,(H,21,26)(H2,22,23,24,25)
InChIKeyORZYKCQQEMYYRM-UHFFFAOYSA-N
MW427.49 g/mol
LogP2.74
Rot. Bonds7

About 6-[(5-methoxy-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide

6-[(5-methoxy-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide (PubChem CID 155517469) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is 6-[(5-methoxy-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-methoxy-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
PubChem CID155517469
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Name6-[(5-methoxy-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(OC)cn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C20H21N5O4S/c1-21-20(26)14-12-23-19(25-18-9-8-13(29-2)11-22-18)10-16(14)24-15-6-4-5-7-17(15)30(3,27)28/h4-12H,1-3H3,(H,21,26)(H2,22,23,24,25)
InChIKeyORZYKCQQEMYYRM-UHFFFAOYSA-N
XLogP2.74
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methoxy-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide?
The IUPAC name of 6-[(5-methoxy-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide (CID 155517469) is 6-[(5-methoxy-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-methoxy-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-methoxy-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccc(OC)cn2)cc1Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of 6-[(5-methoxy-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide?
The InChIKey is ORZYKCQQEMYYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-21-20(26)14-12-23-19(25-18-9-8-13(29-2)11-22-18)10-16(14)24-15-6-4-5-7-17(15)30(3,27)28/h4-12H,1-3H3,(H,21,26)(H2,22,23,24,25).
What are the key properties of 6-[(5-methoxy-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide?
6-[(5-methoxy-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide has a molecular weight of 427.49 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methoxy-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 155517469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).